Molecular Details
DICL_CP_0334114
- (1S,2R,5R)-2-[(2S)-2-hydroxy-1-(4-phenylbutylamino)propan-2-yl]-5-methylcyclohexan-1-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0334114
PubChem CID
Molecular Formula
C20H33NO2 Molecular Weight
319.489 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
UGJMLKYDYHMDDP-RSPOEFSDSA-N
InChI
InChI=1S/C20H33NO2/c1-16-11-12-18(19(22)14-16)20(2,23)15-21-13-7-6-10-17-8-4-3-5-9-17/h3-5,8-9,16,18...
IUPAC Name
(1S,2R,5R)-2-[(2S)-2-hydroxy-1-(4-phenylbutylamino)propan-2-yl]-5-methylcyclohexan-1-ol
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
56 57 0 0 0 0 0 0 0 0999 V2000
-5.9871 -2.6861 0.6458 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2082 -1.7397 -0.2779 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.6780 -1.938...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2B
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 511 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
37 ℃
Test Method
Binding assay (ifenprodil)
Test Species
L(tk-) cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
8
logP
3.147
Complexity
95.3853
TPSA (Ų)
52.49
H-Bond Donors
3
H-Bond Acceptors
3
Ring Count
2